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1643-29-4 | Benzenepropanoic acid, 4-iodo-
CAS No: 1643-29-4 Catalog No: AG001URP MDL No:MFCD00017597
Product Description
Catalog Number:
AG001URP
Chemical Name:
Benzenepropanoic acid, 4-iodo-
CAS Number:
1643-29-4
Molecular Formula:
C9H9IO2
Molecular Weight:
276.0710
MDL Number:
MFCD00017597
IUPAC Name:
3-(4-iodophenyl)propanoic acid
InChI:
InChI=1S/C9H9IO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6H2,(H,11,12)
InChI Key:
SJMRZGIIQIWIFS-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1ccc(cc1)I
NSC Number:
31595
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.965g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.073g/mol
Monoisotopic Mass:
275.965g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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